3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine

C16H32N2 — CID 134443637

IUPAC3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(N)CC(C)(CC2CCCC(CN)C2)C1
InChIInChI=1S/C16H32N2/c1-12-6-15(18)10-16(2,8-12)9-13-4-3-5-14(7-13)11-17/h12-15H,3-11,17-18H2,1-2H3
InChIKeyJKPPPGUGICDAHL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.30
Rot. Bonds3

About 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine

3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 134443637) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID134443637
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(N)CC(C)(CC2CCCC(CN)C2)C1
InChIInChI=1S/C16H32N2/c1-12-6-15(18)10-16(2,8-12)9-13-4-3-5-14(7-13)11-17/h12-15H,3-11,17-18H2,1-2H3
InChIKeyJKPPPGUGICDAHL-UHFFFAOYSA-N
XLogP3.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
(3-methylcyclohexyl)methanamine
CID 18361468
3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130602126
(3,3,4,8-tetramethylcyclononyl)methanamine
CID 129058588
(5-methylcyclononyl)methanamine
CID 91548607
[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
CID 93286265
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
N-[[3-(aminomethyl)cyclohexyl]methyl]-N-(2,4-dimethylpentan-3-yl)-2,4-dimethylpentan-3-amine
CID 68744970
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925
[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine
CID 69118044

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine (CID 134443637) is 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(N)CC(C)(CC2CCCC(CN)C2)C1.
What is the InChIKey of 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is JKPPPGUGICDAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-6-15(18)10-16(2,8-12)9-13-4-3-5-14(7-13)11-17/h12-15H,3-11,17-18H2,1-2H3.
What are the key properties of 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine?
3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 134443637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).